
 CHEMBL1173647

 83 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1173647

>  <PubChem CID>
21064288

>  <Formula>
C32H43ClFN3O3

>  <Molecular Weight>
572.162000

>  <IUPAC Name>
(3S)-1-butyl-3-(cyclohexylmethyl)-9-[[4-(4-fluorophenoxy)phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)F)CC5CCCCC5.Cl

>  <Isomeric SMILES>
CCCCN1C(=O)[C@@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)F)CC5CCCCC5.Cl

>  <InChI Std. ID>
InChI=1S/C32H42FN3O3.ClH/c1-2-3-19-36-30(37)29(22-24-7-5-4-6-8-24)34-31(38)32(36)17-20-35(21-18-32)23-25-9-13-27(14-10-25)39-28-15-11-26(33)12-16-28;/h9-16,24,29H,2-8,17-23H2,1H3,(H,34,38);1H/t29-;/m0./s1

>  <InChI Key>
AMUZXSRDGPJDPV-JMAPEOGHSA-N

